Match Partial charge 2
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
9.389999999999999e-01 | 9.320000000000001e-01 | 4.660000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)